#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iie s GLY 119 N 0.00 1.41 0.00 2.98 0.00 -1.26 -4.87 107.32 105.58 1iie s GLY 119 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 44.72 45.70 1iie s GLY 119 CO 0.00 3.20 0.00 -2.01 0.00 0.00 0.00 173.10 174.29 1iie n ASN 120 N 7.67 0.00 0.28 1.64 2.85 -1.26 -4.99 115.26 121.45 1iie n ASN 120 Ca 0.19 -0.47 0.15 0.00 -0.11 0.00 0.00 54.58 54.34 1iie n ASN 120 Cb 0.43 0.00 0.79 0.00 1.24 0.00 0.00 39.78 42.24 1iie n ASN 120 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 1iie h MET 121 N 0.00 0.00 -1.13 1.20 2.86 -2.02 -2.74 114.93 113.10 1iie h MET 121 Ca 0.00 0.00 0.33 0.00 -2.06 0.00 0.00 59.70 57.97 1iie h MET 121 Cb 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 1iie h MET 121 CO 0.00 0.08 0.81 1.15 1.06 0.00 0.00 176.91 180.01 1iie h THR 122 N 0.00 0.44 -0.37 2.22 2.02 -1.94 0.47 112.91 115.76 1iie h THR 122 Ca -0.00 -0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1iie h THR 122 Cb 0.32 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1iie h THR 122 CO 0.01 0.00 -0.22 -0.33 0.37 0.00 0.00 175.52 175.35 1iie h GLU 123 N 0.01 0.71 0.00 6.66 5.08 -1.82 1.37 114.58 126.59 1iie h GLU 123 Ca 0.54 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1iie h GLU 123 Cb 2.15 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.34 1iie h GLU 123 CO -0.01 0.87 -0.50 -0.44 -1.00 0.00 0.00 179.01 177.93 1iie h ASP 124 N 0.63 0.00 0.99 1.42 3.32 -0.30 1.16 116.42 123.64 1iie h ASP 124 Ca 0.09 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.98 1iie h ASP 124 Cb 0.71 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 1iie h ASP 124 CO 0.05 0.50 -1.08 -0.74 -1.72 0.00 0.00 179.24 176.25 1iie h HIS 125 N 0.00 0.00 0.09 4.55 2.76 -0.65 -1.99 115.15 119.91 1iie h HIS 125 Ca -0.01 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.84 1iie h HIS 125 Cb 1.12 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.06 1iie h HIS 125 CO 0.00 0.61 -1.72 0.28 -1.30 0.00 0.00 177.93 175.80 1iie h VAL 126 N 0.00 0.91 -0.51 5.26 2.07 0.20 -2.76 116.25 121.41 1iie h VAL 126 Ca -0.10 -2.63 -0.05 0.00 0.82 0.00 0.00 66.70 64.74 1iie h VAL 126 Cb 1.56 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 33.90 1iie h VAL 126 CO 0.06 0.77 0.13 -0.03 0.02 0.00 0.00 177.57 178.52 1iie h MET 127 N 0.05 0.82 -0.41 1.57 -1.53 0.13 -1.09 114.93 114.48 1iie h MET 127 Ca -0.31 -0.19 -0.07 0.00 -3.44 0.00 0.00 59.70 55.69 1iie h MET 127 Cb 2.02 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 32.94 1iie h MET 127 CO 0.12 0.78 -0.02 0.45 0.14 0.00 0.00 176.91 178.38 1iie h HIS 128 N 0.71 0.70 0.00 1.39 3.86 -1.45 0.94 115.15 121.31 1iie h HIS 128 Ca 0.16 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1iie h HIS 128 Cb 0.32 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1iie h HIS 128 CO 0.02 0.68 0.00 -0.07 0.86 0.00 0.00 177.93 179.42 1iie h LEU 129 N 0.62 0.00 0.00 2.43 -0.00 -1.04 -2.06 115.31 115.27 1iie h LEU 129 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 1iie h LEU 129 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1iie h LEU 129 CO 0.02 0.00 -1.72 0.18 -0.00 0.00 0.00 178.44 176.92 1iie n LEU 130 N -2.91 0.08 0.01 1.67 4.77 -0.10 -3.43 117.00 117.09 1iie n LEU 130 Ca -0.00 -0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.06 1iie n LEU 130 Cb 0.22 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.76 1iie n LEU 130 CO 0.23 0.02 0.75 0.00 -1.33 0.00 0.00 177.39 177.06 1iie n GLN 131 N -2.05 0.05 -0.03 3.23 6.02 0.31 -3.22 117.38 121.69 1iie n GLN 131 Ca -0.03 0.03 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 1iie n GLN 131 Cb 0.45 -1.54 -0.04 0.00 1.02 0.00 0.00 30.24 30.13 1iie n GLN 131 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1iie n ASN 132 N -1.62 3.57 0.19 1.08 4.13 -0.86 -4.57 115.26 117.18 1iie n ASN 132 Ca 0.06 -0.02 0.03 0.00 1.68 0.00 0.00 54.58 56.33 1iie n ASN 132 Cb 0.35 0.30 0.37 0.00 -1.54 0.00 0.00 39.78 39.27 1iie n ASN 132 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1iie h ALA 133 N 0.15 1.39 -3.48 5.41 0.00 -1.69 -3.42 119.26 117.61 1iie h ALA 133 Ca -0.15 -0.33 -0.34 0.00 0.00 0.00 0.00 54.91 54.09 1iie h ALA 133 Cb 1.29 -0.06 -0.34 0.00 0.00 0.00 0.00 17.79 18.68 1iie h ALA 133 CO -0.01 0.45 -0.74 -0.51 0.00 0.00 0.00 179.25 178.44 1iie s ASP 134 N -6.90 0.45 0.00 0.00 1.01 -1.20 -5.00 116.67 105.03 1iie s ASP 134 Ca -0.03 -0.01 0.10 0.00 0.71 0.00 0.00 52.55 53.32 1iie s ASP 134 Cb 0.14 -0.20 0.59 0.00 1.01 0.00 0.00 42.92 44.45 1iie s ASP 134 CO 0.72 -0.11 1.33 -0.81 0.21 0.00 0.00 175.17 176.50 1iie n PRO 135 N 4.24 0.94 -0.64 8.23 -0.04 -1.26 -3.45 135.00 143.01 1iie n PRO 135 Ca -0.25 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.27 1iie n PRO 135 Cb 0.50 -1.16 0.16 0.00 -0.04 0.00 0.00 33.50 32.96 1iie n PRO 135 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1iie n LEU 136 N -0.66 2.29 -4.81 1.53 4.77 -1.26 -5.03 117.00 113.82 1iie n LEU 136 Ca 0.07 -3.37 -0.37 0.00 -0.03 0.00 0.00 56.01 52.32 1iie n LEU 136 Cb 0.03 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 40.65 1iie n LEU 136 CO 0.06 1.11 -0.06 -0.54 -1.33 0.00 0.00 177.39 176.62 1iie s LYS 137 N -2.56 3.87 -0.01 3.23 -0.14 -1.22 -5.08 119.74 117.83 1iie s LYS 137 Ca 0.35 0.05 -0.01 0.00 -1.36 0.00 0.00 55.97 54.99 1iie s LYS 137 Cb 0.34 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 33.20 1iie s LYS 137 CO -0.07 0.55 0.03 0.08 -0.76 0.00 0.00 175.35 175.19 1iie s VAL 138 N -0.45 0.02 -0.52 3.17 1.01 -1.26 -4.90 120.40 117.46 1iie s VAL 138 Ca 0.17 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1iie s VAL 138 Cb -0.13 -0.11 0.16 0.00 0.00 0.00 0.00 36.38 36.30 1iie s VAL 138 CO 0.05 -0.08 0.35 -0.31 0.00 0.00 0.00 175.10 175.11 1iie s TYR 139 N -0.24 2.30 0.56 5.22 1.51 -1.26 -5.07 117.35 120.37 1iie s TYR 139 Ca -0.03 -2.73 -0.20 0.00 -1.01 0.00 0.00 57.07 53.10 1iie s TYR 139 Cb -0.02 -1.92 -0.06 0.00 -0.11 0.00 0.00 41.96 39.85 1iie s TYR 139 CO -0.00 -0.71 1.11 -0.35 -1.11 0.00 0.00 175.55 174.48 1iie n PRO 140 N 2.81 1.22 -1.83 -1.71 -0.04 -1.26 -4.80 135.00 129.39 1iie n PRO 140 Ca 0.18 0.46 -0.38 0.00 -0.04 0.00 0.00 63.50 63.72 1iie n PRO 140 Cb 0.38 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.52 1iie n PRO 140 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1iie s PRO 141 N -2.71 2.43 -1.44 0.54 0.04 -1.26 -4.84 135.00 127.76 1iie s PRO 141 Ca 0.73 1.00 -0.09 0.00 0.04 0.00 0.00 61.00 62.68 1iie s PRO 141 Cb -0.44 -4.47 0.04 0.00 0.04 0.00 0.00 34.50 29.68 1iie s PRO 141 CO 0.49 -2.93 2.49 1.28 0.04 0.00 0.00 177.00 178.36 1iie n LEU 142 N 14.02 7.94 0.31 -3.56 4.77 -1.26 -4.61 117.00 134.60 1iie n LEU 142 Ca 0.28 -4.58 0.20 0.00 -0.03 0.00 0.00 56.01 51.88 1iie n LEU 142 Cb 0.53 -1.49 0.97 0.00 -2.33 0.00 0.00 43.42 41.10 1iie n LEU 142 CO 0.71 1.84 1.10 0.11 -1.33 0.00 0.00 177.39 179.81 1iie h LYS 143 N 5.10 0.00 0.00 3.23 1.79 -1.98 -3.43 116.57 121.28 1iie h LYS 143 Ca 0.70 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.17 1iie h LYS 143 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1iie h LYS 143 CO 1.66 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 180.45 1iie n GLY 144 N -0.57 -3.35 3.96 3.86 0.00 -1.26 -4.99 105.19 102.84 1iie n GLY 144 Ca -0.01 -1.20 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 1iie n GLY 144 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iie s SER 145 N -1.95 5.06 0.34 1.61 0.01 -1.26 -4.63 113.70 112.87 1iie s SER 145 Ca 0.00 0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.47 1iie s SER 145 Cb 0.00 -0.93 0.72 0.00 0.21 0.00 0.00 66.02 66.01 1iie s SER 145 CO 0.00 -1.34 1.89 0.15 0.41 0.00 0.00 173.24 174.34 1iie h PHE 146 N -0.21 0.90 0.00 2.43 3.57 -1.94 2.37 116.94 124.07 1iie h PHE 146 Ca -0.43 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1iie h PHE 146 Cb 1.30 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1iie h PHE 146 CO 0.34 0.38 0.00 -1.00 -2.23 0.00 0.00 178.31 175.80 1iie h PRO 147 N 0.81 0.00 0.11 6.41 0.13 -1.98 0.48 132.00 137.96 1iie h PRO 147 Ca 0.42 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 65.22 1iie h PRO 147 Cb 0.52 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 1iie h PRO 147 CO -0.19 0.00 -1.81 0.93 -0.23 0.00 0.00 178.00 176.70 1iie h GLU 148 N 0.00 0.23 -0.12 0.86 5.08 -1.10 -2.59 114.58 116.95 1iie h GLU 148 Ca 0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1iie h GLU 148 Cb 0.81 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1iie h GLU 148 CO 0.00 1.19 0.08 -0.91 -1.00 0.00 0.00 179.01 178.37 1iie h ASN 149 N -0.14 0.13 0.00 1.42 2.35 0.39 1.42 115.58 121.15 1iie h ASN 149 Ca -0.40 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1iie h ASN 149 Cb 1.89 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 40.23 1iie h ASN 149 CO 0.04 0.09 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.81 1iie h LEU 150 N 0.15 0.00 -2.09 1.61 3.38 -0.98 -1.22 115.31 116.16 1iie h LEU 150 Ca 0.05 -0.87 -0.01 0.00 0.09 0.00 0.00 57.88 57.13 1iie h LEU 150 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1iie h LEU 150 CO -0.01 0.95 -0.07 0.03 0.09 0.00 0.00 178.44 179.43 1iie h ARG 151 N -1.00 0.00 0.07 1.13 2.47 -1.11 0.31 114.38 116.25 1iie h ARG 151 Ca -0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1iie h ARG 151 Cb 0.89 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 1iie h ARG 151 CO -0.00 0.07 -0.03 1.25 0.56 0.00 0.00 179.97 181.81 1iie h HIS 152 N 0.00 -0.08 -0.88 3.04 2.76 0.19 1.26 115.15 121.44 1iie h HIS 152 Ca -0.00 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.31 1iie h HIS 152 Cb 0.27 0.03 -0.07 0.00 1.55 0.00 0.00 27.41 29.19 1iie h HIS 152 CO 0.00 0.50 0.57 -0.07 -1.30 0.00 0.00 177.93 177.62 1iie h LEU 153 N -0.85 0.63 0.08 0.26 3.38 -0.52 2.05 115.31 120.35 1iie h LEU 153 Ca -0.01 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1iie h LEU 153 Cb 0.62 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1iie h LEU 153 CO 0.02 0.32 -0.04 0.50 0.09 0.00 0.00 178.44 179.33 1iie h LYS 154 N 0.67 -0.11 0.00 1.13 3.11 -0.30 1.04 116.57 122.11 1iie h LYS 154 Ca 0.44 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.29 1iie h LYS 154 Cb 0.72 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.98 1iie h LYS 154 CO -0.19 0.42 0.00 -1.71 -2.81 0.00 0.00 179.45 175.15 1iie n ASN 155 N -4.86 0.00 0.04 4.20 2.85 0.43 -4.19 115.26 113.73 1iie n ASN 155 Ca -0.08 -0.22 -0.00 0.00 -0.11 0.00 0.00 54.58 54.17 1iie n ASN 155 Cb 0.29 -0.22 -0.00 0.00 1.24 0.00 0.00 39.78 41.09 1iie n ASN 155 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1iie n THR 156 N -1.22 1.08 -0.28 -0.44 -1.04 0.69 -4.99 114.28 108.08 1iie n THR 156 Ca 0.13 0.35 -0.30 0.00 -2.04 0.00 0.00 64.05 62.19 1iie n THR 156 Cb 0.16 -1.53 0.29 0.00 -1.82 0.00 0.00 70.33 67.43 1iie n THR 156 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 1iie n MET 157 N -3.39 -4.42 -1.98 -2.82 0.00 0.36 -4.84 117.12 100.04 1iie n MET 157 Ca -0.00 -1.30 -0.42 0.00 0.00 0.00 0.00 57.70 55.97 1iie n MET 157 Cb 0.01 -1.96 -0.03 0.00 0.00 0.00 0.00 33.22 31.24 1iie n MET 157 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1iie s GLU 158 N -4.90 4.22 0.50 3.17 8.01 -1.26 -4.78 118.70 123.66 1iie s GLU 158 Ca 0.67 2.29 0.32 0.00 0.01 0.00 0.00 54.97 58.26 1iie s GLU 158 Cb -0.15 -3.37 1.44 0.00 -4.31 0.00 0.00 34.13 27.74 1iie s GLU 158 CO 0.58 -0.64 1.78 1.15 0.01 0.00 0.00 175.26 178.15 1iie h THR 159 N 4.41 0.41 0.00 3.63 2.02 -1.88 1.72 112.91 123.23 1iie h THR 159 Ca -0.42 -0.04 -0.18 0.00 0.77 0.00 0.00 66.41 66.55 1iie h THR 159 Cb 1.20 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1iie h THR 159 CO 0.91 0.02 -0.93 -0.29 0.37 0.00 0.00 175.52 175.60 1iie h ILE 160 N 0.10 1.19 0.00 3.11 2.10 -1.95 0.97 117.51 123.03 1iie h ILE 160 Ca 0.59 -2.76 -0.18 0.00 1.08 0.00 0.00 64.86 63.59 1iie h ILE 160 Cb 2.12 2.56 -0.03 0.00 -1.09 0.00 0.00 36.82 40.38 1iie h ILE 160 CO -0.10 0.68 -0.84 0.44 -1.08 0.00 0.00 178.15 177.24 1iie h ASP 161 N 0.00 0.00 0.14 2.19 3.32 0.12 -1.03 116.42 121.16 1iie h ASP 161 Ca -0.05 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.80 1iie h ASP 161 Cb 1.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.18 1iie h ASP 161 CO 0.09 0.84 -0.76 -0.25 -1.72 0.00 0.00 179.24 177.44 1iie h TRP 162 N 0.00 0.71 -0.28 4.55 2.91 0.22 0.86 115.95 124.92 1iie h TRP 162 Ca -0.01 -0.32 0.03 0.00 1.13 0.00 0.00 58.89 59.72 1iie h TRP 162 Cb 1.49 -0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 30.01 1iie h TRP 162 CO 0.00 1.10 0.09 0.87 -1.03 0.00 0.00 178.44 179.48 1iie h LYS 163 N 0.35 0.21 -0.40 2.65 1.79 0.14 0.88 116.57 122.20 1iie h LYS 163 Ca -0.04 -0.01 -0.14 0.00 -2.18 0.00 0.00 60.65 58.27 1iie h LYS 163 Cb 1.36 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.95 1iie h LYS 163 CO 0.14 0.14 -0.32 0.28 -1.08 0.00 0.00 179.45 178.61 1iie h VAL 164 N 0.22 1.27 -0.48 0.50 2.07 -1.03 -0.91 116.25 117.89 1iie h VAL 164 Ca 0.12 -1.48 -0.07 0.00 0.82 0.00 0.00 66.70 66.09 1iie h VAL 164 Cb 0.10 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1iie h VAL 164 CO -0.13 0.50 0.04 0.15 0.02 0.00 0.00 177.57 178.14 1iie h PHE 165 N 0.74 0.89 -0.44 1.57 3.57 0.17 0.63 116.94 124.06 1iie h PHE 165 Ca 0.08 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1iie h PHE 165 Cb 0.89 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1iie h PHE 165 CO 0.05 0.83 0.26 0.93 -2.23 0.00 0.00 178.31 178.16 1iie h GLU 166 N 0.69 0.61 -0.14 1.11 4.39 0.89 1.00 114.58 123.13 1iie h GLU 166 Ca 0.14 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 1iie h GLU 166 Cb 0.45 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1iie h GLU 166 CO 0.02 0.46 -0.06 0.77 -1.16 0.00 0.00 179.01 179.03 1iie h SER 167 N 0.59 0.20 -0.18 1.42 0.02 -0.74 0.83 113.55 115.68 1iie h SER 167 Ca 0.16 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.91 1iie h SER 167 Cb 0.01 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1iie h SER 167 CO -0.03 0.30 -0.50 -0.25 -1.14 0.00 0.00 176.83 175.21 1iie h TRP 168 N 0.21 0.93 -0.18 3.45 7.01 0.28 0.34 115.95 127.98 1iie h TRP 168 Ca 0.05 -0.31 -0.17 0.00 2.11 0.00 0.00 58.89 60.56 1iie h TRP 168 Cb 0.25 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.13 1iie h TRP 168 CO 0.00 1.09 -0.60 0.52 -2.79 0.00 0.00 178.44 176.67 1iie h MET 169 N 0.59 0.60 -0.07 2.65 2.86 0.23 0.43 114.93 122.22 1iie h MET 169 Ca 0.03 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 1iie h MET 169 Cb 1.07 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 1iie h MET 169 CO 0.11 1.03 0.01 1.25 1.06 0.00 0.00 176.91 180.37 1iie h HIS 170 N 0.45 0.12 -0.26 -0.22 -0.00 0.88 0.82 115.15 116.94 1iie h HIS 170 Ca -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.34 1iie h HIS 170 Cb 1.17 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.53 1iie h HIS 170 CO 0.05 0.32 0.11 0.45 -0.00 0.00 0.00 177.93 178.87 1iie h HIS 171 N -0.11 0.39 -0.98 5.26 -0.00 -0.24 0.35 115.15 119.81 1iie h HIS 171 Ca 0.02 -0.02 0.17 0.00 -0.00 0.00 0.00 60.37 60.54 1iie h HIS 171 Cb 0.26 -0.12 -0.10 0.00 -0.00 0.00 0.00 27.41 27.45 1iie h HIS 171 CO 0.01 0.38 0.59 2.35 -0.00 0.00 0.00 177.93 181.26 1iie h TRP 172 N 0.28 1.04 0.44 2.45 7.01 0.13 -0.30 115.95 127.01 1iie h TRP 172 Ca 0.09 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 1iie h TRP 172 Cb 0.15 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 26.90 1iie h TRP 172 CO -0.01 0.27 -0.21 1.25 -2.79 0.00 0.00 178.44 176.95 1iie h LEU 173 N 0.79 -0.50 -0.09 0.65 5.85 0.24 -2.40 115.31 119.84 1iie h LEU 173 Ca 0.55 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.19 1iie h LEU 173 Cb 0.77 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1iie h LEU 173 CO -0.36 -0.11 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.24 1iie h LEU 174 N -0.99 -1.05 -0.62 2.25 3.38 0.22 0.21 115.31 118.71 1iie h LEU 174 Ca -0.06 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1iie h LEU 174 Cb 0.57 0.41 -0.07 0.00 0.09 0.00 0.00 40.66 41.65 1iie h LEU 174 CO 0.10 -0.29 -0.37 0.33 0.09 0.00 0.00 178.44 178.30 1iie n PHE 175 N -4.29 -0.27 -0.20 1.13 -0.00 -0.18 0.15 117.46 113.79 1iie n PHE 175 Ca -0.04 0.78 0.11 0.00 -0.00 0.00 0.00 57.45 58.31 1iie n PHE 175 Cb 0.23 -0.54 0.41 0.00 -0.00 0.00 0.00 39.48 39.58 1iie n PHE 175 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1iie h GLU 176 N 0.00 0.60 0.36 -4.13 3.07 -1.00 0.67 114.58 114.15 1iie h GLU 176 Ca 0.10 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 1iie h GLU 176 Cb 0.26 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1iie h GLU 176 CO -0.59 0.40 -0.17 1.98 -1.40 0.00 0.00 179.01 179.23 1iie h MET 177 N 0.62 -0.47 -0.99 2.33 1.85 0.36 -1.61 114.93 117.02 1iie h MET 177 Ca 0.38 0.03 0.19 0.00 -0.61 0.00 0.00 59.70 59.68 1iie h MET 177 Cb 0.61 0.11 -0.11 0.00 0.43 0.00 0.00 31.60 32.64 1iie h MET 177 CO -0.14 -0.27 0.59 0.66 -0.40 0.00 0.00 176.91 177.35 1iie h SER 178 N -1.10 0.75 -0.25 1.39 4.64 0.17 0.45 113.55 119.60 1iie h SER 178 Ca -0.05 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1iie h SER 178 Cb 0.42 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1iie h SER 178 CO 0.08 0.26 0.00 -2.11 -0.87 0.00 0.00 176.83 174.19 1iie n ARG 179 N -4.79 2.49 -0.43 4.77 -4.01 0.23 -4.08 116.66 110.84 1iie n ARG 179 Ca 0.23 -1.29 0.04 0.00 -1.04 0.00 0.00 57.85 55.79 1iie n ARG 179 Cb 0.56 -1.73 0.21 0.00 -3.04 0.00 0.00 32.46 28.46 1iie n ARG 179 CO 0.00 0.00 0.00 1.58 -3.04 0.00 0.00 177.63 176.17 1iie n HIS 180 N 0.29 1.02 0.28 2.89 -0.00 0.16 -4.23 115.22 115.63 1iie n HIS 180 Ca 0.11 -0.37 0.13 0.00 0.46 0.00 0.00 57.72 58.06 1iie n HIS 180 Cb 0.59 -0.27 0.60 0.00 -0.12 0.00 0.00 29.99 30.79 1iie n HIS 180 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1iie h SER 181 N 2.15 0.00 0.05 0.26 0.87 -1.77 -2.79 113.55 112.33 1iie h SER 181 Ca 0.00 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 1iie h SER 181 Cb 1.17 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.07 1iie h SER 181 CO 0.22 0.00 -2.33 0.18 -0.53 0.00 0.00 176.83 174.37 1iie n LEU 182 N -2.36 1.56 -3.01 2.23 4.77 -1.26 -4.48 117.00 114.45 1iie n LEU 182 Ca -0.00 -0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1iie n LEU 182 Cb 0.13 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1iie n LEU 182 CO 0.16 0.71 1.95 -0.62 -1.33 0.00 0.00 177.39 178.25 1iie n GLU 183 N -3.05 3.56 -4.38 3.23 -0.58 -1.05 -4.92 120.64 113.46 1iie n GLU 183 Ca -0.37 -3.00 -0.19 0.00 -0.42 0.00 0.00 57.16 53.18 1iie n GLU 183 Cb 1.07 -2.39 -0.10 0.00 -0.57 0.00 0.00 31.44 29.46 1iie n GLU 183 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1iie s GLN 184 N -1.64 1.57 -0.14 3.49 -2.07 -1.25 -5.01 119.66 114.61 1iie s GLN 184 Ca 0.56 -1.88 -0.09 0.00 -1.82 0.00 0.00 55.36 52.12 1iie s GLN 184 Cb 0.29 -0.40 0.04 0.00 -1.09 0.00 0.00 33.01 31.84 1iie s GLN 184 CO -0.17 -0.33 0.18 1.17 -1.32 0.00 0.00 175.29 174.83 1iie n LYS 185 N -0.60 -3.73 -1.57 9.60 4.81 -1.26 -4.98 118.16 120.43 1iie n LYS 185 Ca -0.01 2.88 -0.30 0.00 -0.87 0.00 0.00 58.31 60.01 1iie n LYS 185 Cb 0.66 -3.97 0.20 0.00 0.02 0.00 0.00 35.03 31.94 1iie n LYS 185 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1iie s PRO 186 N -0.52 -0.01 -0.20 1.64 0.04 -1.26 -5.06 135.00 129.62 1iie s PRO 186 Ca -0.21 -0.21 -0.01 0.00 0.04 0.00 0.00 61.00 60.61 1iie s PRO 186 Cb 0.01 -1.75 0.06 0.00 0.04 0.00 0.00 34.50 32.86 1iie s PRO 186 CO 0.59 -2.88 -0.02 0.99 0.04 0.00 0.00 177.00 175.71 1iie s THR 187 N -3.49 1.07 -0.35 1.26 2.01 -1.26 -5.04 115.64 109.83 1iie s THR 187 Ca 0.72 -0.84 -0.04 0.00 0.31 0.00 0.00 61.69 61.84 1iie s THR 187 Cb -0.07 -1.40 0.19 0.00 0.01 0.00 0.00 72.50 71.23 1iie s THR 187 CO 0.54 -0.08 0.93 -0.62 -0.69 0.00 0.00 174.62 174.71 1iie s ASP 188 N 1.62 -0.66 0.02 3.53 2.15 -1.26 -5.16 116.67 116.91 1iie s ASP 188 Ca -0.02 -0.35 0.01 0.00 0.43 0.00 0.00 52.55 52.61 1iie s ASP 188 Cb -0.17 0.85 -0.02 0.00 -0.30 0.00 0.00 42.92 43.28 1iie s ASP 188 CO -0.07 -0.07 -0.05 0.00 -0.17 0.00 0.00 175.17 174.81 1iie s ALA 189 N 1.89 0.33 0.70 3.66 0.00 -1.26 -5.15 121.76 121.94 1iie s ALA 189 Ca 0.15 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 51.47 1iie s ALA 189 Cb 0.01 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1iie s ALA 189 CO -0.13 -0.04 1.08 -1.25 0.00 0.00 0.00 175.76 175.42 1iie s PRO 190 N -1.09 2.74 0.31 0.00 0.04 -1.26 -5.00 135.00 130.74 1iie s PRO 190 Ca -0.09 1.13 -0.28 0.00 0.04 0.00 0.00 61.00 61.81 1iie s PRO 190 Cb -0.07 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1iie s PRO 190 CO -0.00 -1.27 1.05 -1.25 0.04 0.00 0.00 177.00 175.57 1iie s PRO 191 N -4.71 4.52 0.00 0.56 0.04 -1.26 -5.34 135.00 128.81 1iie s PRO 191 Ca 0.61 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1iie s PRO 191 Cb -0.16 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1iie s PRO 191 CO 0.51 0.15 0.20 1.63 0.04 0.00 0.00 177.00 179.53